5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

C181H147FN36O12 — CID 159522557

About 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine

5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (PubChem CID 159522557) has the molecular formula C181H147FN36O12 and a molecular weight of 3037.40 g/mol. Its IUPAC name is 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

Molecular Properties

• Compound Name: 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• PubChem CID: 159522557
• Molecular Formula: C181H147FN36O12
• Molecular Weight: 3037.40 g/mol
• Exact Mass: 3035.20
• IUPAC Name: 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine
• SMILES: COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cc(C)nc2c1.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(C)c5)n4)cc3)ccnc2c1.COc1ccc2nccc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)c2c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(F)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)cc3)n2)c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1
• InChI: InChI=1S/C31H25N5O2.C26H23N5O2.C25H18N6O.3C25H21N5O2.C24H18FN5O/c1-21-6-5-9-24(18-21)33-31-34-30(35-36-31)23-10-12-25(13-11-23)38-29-16-17-32-28-19-26(14-15-27(28)29)37-20-22-7-3-2-4-8-22;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-7-9-20(10-8-18)33-24-14-17(2)27-23-15-21(32-3)11-12-22(23)24;1-16-4-3-5-19(14-16)28-25-29-24(30-31-25)17-6-9-20(10-7-17)32-23-12-13-27-22-15-18(26-2)8-11-21(22)23;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-11-10-20(31-2)15-21(22)23;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-4-3-5-17(14-16)24-28-25(30-29-24)27-18-6-8-19(9-7-18)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-15-3-2-4-18(13-15)27-24-28-23(29-30-24)16-5-8-19(9-6-16)31-22-11-12-26-21-14-17(25)7-10-20(21)22/h2-19H,20H2,1H3,(H2,33,34,35,36);4-15H,1-3H3,(H2,28,29,30,31);3-15H,1H3,(H2,28,29,30,31);3*3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30)
• InChIKey: MBZIVVDVROUSIK-UHFFFAOYSA-N
• XLogP: 43.66
• TPSA: 580.55 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 42
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3037.40
LogP ≤ 5	43.66
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The IUPAC name of 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine (CID 159522557) is 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine.

What is the SMILES notation for 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The canonical SMILES for 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)cc(C)nc2c1.COc1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.COc1ccc2c(Oc3ccc(Nc4n[nH]c(-c5cccc(C)c5)n4)cc3)ccnc2c1.COc1ccc2nccc(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)c2c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(F)ccc45)cc3)n2)c1.Cc1cccc(Nc2n[nH]c(-c3ccc(Oc4ccnc5cc(OCc6ccccc6)ccc45)cc3)n2)c1.[C-]#[N+]c1ccc2c(Oc3ccc(-c4nc(Nc5cccc(C)c5)n[nH]4)cc3)ccnc2c1.

What is the InChIKey of 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

The InChIKey is MBZIVVDVROUSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N5O2.C26H23N5O2.C25H18N6O.3C25H21N5O2.C24H18FN5O/c1-21-6-5-9-24(18-21)33-31-34-30(35-36-31)23-10-12-25(13-11-23)38-29-16-17-32-28-19-26(14-15-27(28)29)37-20-22-7-3-2-4-8-22;1-16-5-4-6-19(13-16)28-26-29-25(30-31-26)18-7-9-20(10-8-18)33-24-14-17(2)27-23-15-21(32-3)11-12-22(23)24;1-16-4-3-5-19(14-16)28-25-29-24(30-31-25)17-6-9-20(10-7-17)32-23-12-13-27-22-15-18(26-2)8-11-21(22)23;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-11-10-20(31-2)15-21(22)23;1-16-4-3-5-18(14-16)27-25-28-24(29-30-25)17-6-8-19(9-7-17)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-16-4-3-5-17(14-16)24-28-25(30-29-24)27-18-6-8-19(9-7-18)32-23-12-13-26-22-15-20(31-2)10-11-21(22)23;1-15-3-2-4-18(13-15)27-24-28-23(29-30-24)16-5-8-19(9-6-16)31-22-11-12-26-21-14-17(25)7-10-20(21)22/h2-19H,20H2,1H3,(H2,33,34,35,36);4-15H,1-3H3,(H2,28,29,30,31);3-15H,1H3,(H2,28,29,30,31);3*3-15H,1-2H3,(H2,27,28,29,30);2-14H,1H3,(H2,27,28,29,30).

What are the key properties of 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine?

5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine has a molecular weight of 3037.40 g/mol, XLogP of 43.66, 42 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(7-fluoroquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-isocyanoquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxy-2-methylquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-5-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(6-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-1,2,4-triazol-3-amine;N-(3-methylphenyl)-5-[4-(7-phenylmethoxyquinolin-4-yl)oxyphenyl]-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 159522557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).